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CHEMKIN Collection Software (Popularity:  )
http://www.chemkin.com/
Simulates complex chemical kinetics in reacting flow.
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ADF (Popularity: )
http://www.scm.com
ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems.
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WebMO (Popularity: )
http://www.webmo.net/
Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available.
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Zeta Potential (Popularity: )
http://zeta-potential.sourceforge.net/
Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials.
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YAeHMOP (Popularity: )
http://yaehmop.sourceforge.net/
"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, ...
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CONFLEX2000 (Popularity: )
http://www.conflex.us/
Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ChemOffice, and Amber. Screen shots, ...
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CRYSTAL Home Page (Popularity: )
http://www.crystal.unito.it/
Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation, ...
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Extensible Computational Chemistry Environment (Popularity: )
http://ecce.emsl.pnl.gov/
Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational ...
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Moloc (Popularity: )
http://www.moloc.ch/
Molecular Design Software Suite for Irix, Linux, and Windows. Includes features such as structure generation, molecular mechanics, conformational search, molecular ...
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